| SpectraBase Compound ID | 17dETFcR6id |
|---|---|
| InChI | InChI=1S/C25H48O2/c1-8-24(7)25(26)27-19-18-23(6)17-11-16-22(5)15-10-14-21(4)13-9-12-20(2)3/h18,20-22,24H,8-17,19H2,1-7H3/b23-18+ |
| InChIKey | PNYWYUSUVPFANG-PTGBLXJZSA-N |
| Mol Weight | 380.7 g/mol |
| Molecular Formula | C25H48O2 |
| Exact Mass | 380.365431 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 4SZPSAaR2Nw |
|---|---|
| Name | Phytyl, 2-methylbutanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 380.365430784 u |
| Formula | C25H48O2 |
| InChI | InChI=1S/C25H48O2/c1-8-24(7)25(26)27-19-18-23(6)17-11-16-22(5)15-10-14-21(4)13-9-12-20(2)3/h18,20-22,24H,8-17,19H2,1-7H3/b23-18+ |
| InChIKey | PNYWYUSUVPFANG-PTGBLXJZSA-N |
| Molecular Weight | 380.657 g/mol |
| SMILES | C(C(CC)C)(=O)OC\C=C\(CCCC(CCCC(CCCC(C)C)C)C)C |